#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a7o n SER 11 N 0.00 0.00 0.06 3.42 7.64 -1.26 -1.75 113.62 121.73 2a7o n SER 11 Ca 0.00 0.17 -0.13 0.00 1.01 0.00 0.00 58.87 59.93 2a7o n SER 11 Cb 0.00 -0.39 -0.09 0.00 -1.01 0.00 0.00 64.21 62.73 2a7o n SER 11 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2a7o h SER 12 N 0.00 -0.13 0.28 6.43 4.64 -2.01 -2.58 113.55 120.19 2a7o h SER 12 Ca 0.00 -0.26 -0.34 0.00 -0.47 0.00 0.00 61.79 60.73 2a7o h SER 12 Cb 0.37 0.03 0.03 0.00 -0.31 0.00 0.00 62.40 62.52 2a7o h SER 12 CO 0.00 0.19 -1.55 1.05 -0.87 0.00 0.00 176.83 175.66 2a7o h GLU 13 N -0.46 0.47 -0.92 4.77 4.11 -1.97 -2.94 114.58 117.64 2a7o h GLU 13 Ca -0.02 -0.80 0.09 0.00 0.07 0.00 0.00 59.36 58.70 2a7o h GLU 13 Cb 0.38 0.30 -0.07 0.00 0.50 0.00 0.00 28.75 29.85 2a7o h GLU 13 CO 0.03 1.38 0.56 1.25 0.07 0.00 0.00 179.01 182.30 2a7o h LEU 14 N 0.13 0.85 -0.44 3.06 6.46 -1.44 -0.86 115.31 123.06 2a7o h LEU 14 Ca -0.27 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.52 2a7o h LEU 14 Cb 2.13 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 41.93 2a7o h LEU 14 CO 0.24 0.50 -0.37 0.00 -0.62 0.00 0.00 178.44 178.19 2a7o n ALA 15 N -2.36 3.32 -0.09 1.25 0.00 -0.97 -2.96 120.51 118.70 2a7o n ALA 15 Ca 0.15 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.16 2a7o n ALA 15 Cb 0.26 -1.07 0.28 0.00 0.00 0.00 0.00 19.45 18.93 2a7o n ALA 15 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2a7o h LYS 16 N 1.08 0.73 0.16 0.00 1.63 -0.96 0.17 116.57 119.39 2a7o h LYS 16 Ca 0.00 -0.10 -0.21 0.00 -0.85 0.00 0.00 60.65 59.49 2a7o h LYS 16 Cb 0.54 -0.14 0.02 0.00 -0.60 0.00 0.00 32.23 32.06 2a7o h LYS 16 CO 0.00 0.59 -0.93 0.87 -3.45 0.00 0.00 179.45 176.53 2a7o h LYS 17 N 0.73 0.34 -0.61 1.90 6.56 -1.59 -3.34 116.57 120.57 2a7o h LYS 17 Ca 0.18 -0.59 0.03 0.00 -1.06 0.00 0.00 60.65 59.22 2a7o h LYS 17 Cb 0.12 0.22 -0.03 0.00 -0.57 0.00 0.00 32.23 31.97 2a7o h LYS 17 CO -0.02 1.28 0.40 0.77 -2.06 0.00 0.00 179.45 179.82 2a7o h SER 18 N -0.28 0.61 0.34 0.86 0.02 -1.28 0.11 113.55 113.93 2a7o h SER 18 Ca -0.16 -0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 60.70 2a7o h SER 18 Cb 1.74 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 64.12 2a7o h SER 18 CO 0.17 0.42 -0.35 0.11 -1.14 0.00 0.00 176.83 176.05 2a7o h LYS 19 N 0.71 0.02 0.11 3.45 1.57 -0.81 0.44 116.57 122.06 2a7o h LYS 19 Ca 0.24 -0.01 -0.19 0.00 -1.87 0.00 0.00 60.65 58.83 2a7o h LYS 19 Cb 0.08 -0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.41 2a7o h LYS 19 CO -0.07 0.37 -0.80 0.93 -0.57 0.00 0.00 179.45 179.32 2a7o h GLU 20 N 0.02 0.34 -0.61 3.15 4.39 -1.26 0.19 114.58 120.80 2a7o h GLU 20 Ca -0.00 -0.52 0.03 0.00 0.34 0.00 0.00 59.36 59.21 2a7o h GLU 20 Cb 0.63 0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 29.42 2a7o h GLU 20 CO 0.05 1.22 0.37 0.28 -1.16 0.00 0.00 179.01 179.77 2a7o h VAL 21 N -0.28 1.06 0.22 3.13 2.07 -0.58 0.12 116.25 122.00 2a7o h VAL 21 Ca -0.13 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 2a7o h VAL 21 Cb 1.59 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 2a7o h VAL 21 CO 0.15 0.13 -0.10 0.15 0.02 0.00 0.00 177.57 177.92 2a7o h PHE 22 N 0.72 -0.27 0.00 1.57 3.57 -0.13 -1.29 116.94 121.11 2a7o h PHE 22 Ca 0.25 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.74 2a7o h PHE 22 Cb 0.03 0.09 -0.00 0.00 2.79 0.00 0.00 35.95 38.86 2a7o h PHE 22 CO -0.06 0.07 -0.00 0.07 -2.23 0.00 0.00 178.31 176.16 2a7o h ARG 23 N -0.64 0.00 -0.01 1.11 -0.00 -0.38 0.34 114.38 114.79 2a7o h ARG 23 Ca -0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 59.95 2a7o h ARG 23 Cb 0.46 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.43 2a7o h ARG 23 CO 0.05 0.00 -0.01 0.87 -0.00 0.00 0.00 179.97 180.89 2a7o h LYS 24 N 0.00 0.02 0.00 0.08 1.79 -0.38 -0.12 116.57 117.95 2a7o h LYS 24 Ca -0.00 -0.01 -0.12 0.00 -2.18 0.00 0.00 60.65 58.34 2a7o h LYS 24 Cb 0.01 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.64 2a7o h LYS 24 CO 0.00 0.49 -0.56 1.05 -1.08 0.00 0.00 179.45 179.35 2a7o h GLU 25 N -0.45 0.00 0.05 3.15 4.11 -0.57 -1.28 114.58 119.59 2a7o h GLU 25 Ca 0.00 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 59.17 2a7o h GLU 25 Cb 0.48 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.75 2a7o h GLU 25 CO 0.00 0.56 -1.09 1.98 0.07 0.00 0.00 179.01 180.52 2a7o h MET 26 N 0.00 0.52 -0.69 1.06 4.05 -0.38 -0.84 114.93 118.66 2a7o h MET 26 Ca -0.01 -0.63 -0.06 0.00 -0.28 0.00 0.00 59.70 58.72 2a7o h MET 26 Cb 1.23 0.20 -0.03 0.00 -0.80 0.00 0.00 31.60 32.19 2a7o h MET 26 CO 0.07 1.25 0.18 0.66 0.23 0.00 0.00 176.91 179.30 2a7o h SER 27 N 0.26 1.03 -0.52 1.39 4.64 -0.86 0.29 113.55 119.79 2a7o h SER 27 Ca -0.13 -0.23 -0.11 0.00 -0.47 0.00 0.00 61.79 60.85 2a7o h SER 27 Cb 1.75 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 63.56 2a7o h SER 27 CO 0.20 0.99 -0.12 0.06 -0.87 0.00 0.00 176.83 177.10 2a7o h GLN 28 N 1.03 1.01 0.39 4.77 3.07 -1.19 0.38 115.11 124.57 2a7o h GLN 28 Ca 0.22 -0.37 -0.02 0.00 0.09 0.00 0.00 58.65 58.56 2a7o h GLN 28 Cb 0.35 -0.06 0.00 0.00 0.08 0.00 0.00 27.48 27.85 2a7o h GLN 28 CO 0.00 1.06 -0.19 0.35 0.09 0.00 0.00 178.83 180.14 2a7o h PHE 29 N 0.90 -0.49 -0.46 0.06 3.57 -0.80 -0.92 116.94 118.81 2a7o h PHE 29 Ca 0.14 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 2a7o h PHE 29 Cb 0.68 0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.56 2a7o h PHE 29 CO 0.05 -0.30 0.18 0.82 -2.23 0.00 0.00 178.31 176.82 2a7o h ILE 30 N -0.54 1.21 -0.52 1.41 2.04 -0.18 0.24 117.51 121.17 2a7o h ILE 30 Ca -0.05 -0.66 0.10 0.00 1.00 0.00 0.00 64.86 65.25 2a7o h ILE 30 Cb 0.41 0.78 -0.08 0.00 -0.74 0.00 0.00 36.82 37.19 2a7o h ILE 30 CO 0.09 0.24 0.07 0.58 0.00 0.00 0.00 178.15 179.13 2a7o h VAL 31 N 0.60 0.66 -0.92 1.67 2.07 -0.23 0.31 116.25 120.41 2a7o h VAL 31 Ca 0.15 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.60 2a7o h VAL 31 Cb 0.21 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 2a7o h VAL 31 CO -0.01 0.04 0.54 -0.61 0.02 0.00 0.00 177.57 177.54 2a7o h GLN 32 N 0.19 1.25 -0.42 1.57 5.75 -0.46 0.15 115.11 123.15 2a7o h GLN 32 Ca 0.27 -0.12 -0.09 0.00 -0.15 0.00 0.00 58.65 58.56 2a7o h GLN 32 Cb 0.39 -0.26 -0.02 0.00 1.07 0.00 0.00 27.48 28.66 2a7o h GLN 32 CO -0.38 0.89 -0.09 0.00 -2.65 0.00 0.00 178.83 176.60 2a7o h LEU 34 N 0.67 0.00 -1.00 0.00 3.38 0.38 -3.36 115.31 115.38 2a7o h LEU 34 Ca 0.12 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.28 2a7o h LEU 34 Cb 0.54 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.11 2a7o h LEU 34 CO 0.03 0.03 -0.29 0.78 0.09 0.00 0.00 178.44 179.08 2a7o h ASN 35 N 0.00 -1.09 0.66 -0.43 -0.26 -0.39 0.11 115.58 114.18 2a7o h ASN 35 Ca -0.00 0.30 0.00 0.00 -0.56 0.00 0.00 56.30 56.04 2a7o h ASN 35 Cb 1.02 0.66 0.00 0.00 -1.06 0.00 0.00 38.32 38.95 2a7o h ASN 35 CO 0.00 -0.32 0.00 1.55 -1.06 0.00 0.00 177.43 177.61 2a7o h PRO 36 N -0.00 0.00 0.00 0.81 0.13 -1.75 -2.91 132.00 128.28 2a7o h PRO 36 Ca 0.44 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 65.37 2a7o h PRO 36 Cb 0.69 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.79 2a7o h PRO 36 CO -1.02 0.00 -1.19 1.88 -0.23 0.00 0.00 178.00 177.44 2a7o h TYR 37 N 0.00 0.00 -0.01 1.56 -1.99 -1.03 -3.22 116.97 112.29 2a7o h TYR 37 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2a7o h TYR 37 Cb 0.33 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.06 2a7o h TYR 37 CO 0.00 0.79 -0.02 2.89 -0.00 0.00 0.00 178.16 181.82 2a7o n ARG 38 N -3.13 1.24 -2.53 4.88 1.85 -0.93 0.22 116.66 118.26 2a7o n ARG 38 Ca -0.06 -0.45 -0.41 0.00 -1.00 0.00 0.00 57.85 55.93 2a7o n ARG 38 Cb 0.90 -1.49 -0.04 0.00 -1.05 0.00 0.00 32.46 30.78 2a7o n ARG 38 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 2a7o s LYS 39 N -2.07 4.58 0.17 2.89 -0.14 -1.22 -4.73 119.74 119.23 2a7o s LYS 39 Ca 0.41 1.69 0.13 0.00 -1.36 0.00 0.00 55.97 56.84 2a7o s LYS 39 Cb 0.21 -3.30 0.67 0.00 -1.68 0.00 0.00 37.83 33.73 2a7o s LYS 39 CO 0.37 0.04 1.41 -0.35 -0.76 0.00 0.00 175.35 176.06 2a7o n PRO 40 N 2.67 0.08 -0.09 -1.68 -0.04 -1.26 -1.13 135.00 133.54 2a7o n PRO 40 Ca 0.04 0.53 0.12 0.00 -0.04 0.00 0.00 63.50 64.15 2a7o n PRO 40 Cb 0.47 -1.74 0.16 0.00 -0.04 0.00 0.00 33.50 32.34 2a7o n PRO 40 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2a7o n ASP 41 N -1.91 3.22 -4.74 3.54 2.03 -1.26 -4.94 116.55 112.49 2a7o n ASP 41 Ca -0.00 -2.00 -0.42 0.00 0.52 0.00 0.00 54.79 52.90 2a7o n ASP 41 Cb 0.05 -0.12 -0.02 0.00 -0.72 0.00 0.00 41.12 40.31 2a7o n ASP 41 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2a7o h LYS 43 N 5.33 0.06 -3.96 0.00 6.56 -1.90 -3.42 116.57 119.25 2a7o h LYS 43 Ca -0.46 -0.10 -0.45 0.00 -1.06 0.00 0.00 60.65 58.58 2a7o h LYS 43 Cb 1.22 0.04 -0.36 0.00 -0.57 0.00 0.00 32.23 32.55 2a7o h LYS 43 CO 0.82 0.76 -0.78 0.54 -2.06 0.00 0.00 179.45 178.74 2a7o s VAL 44 N -2.62 0.61 -0.71 0.50 0.11 -1.26 -4.24 120.40 112.78 2a7o s VAL 44 Ca -0.05 -0.07 -0.01 0.00 -2.93 0.00 0.00 61.98 58.92 2a7o s VAL 44 Cb 0.08 -0.68 0.00 0.00 -1.53 0.00 0.00 36.38 34.25 2a7o s VAL 44 CO 0.82 0.28 0.60 0.61 -3.33 0.00 0.00 175.10 174.08 2a7o n GLY 45 N 4.72 0.01 3.66 6.54 0.00 0.70 -4.90 105.19 115.91 2a7o n GLY 45 Ca -0.14 -0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.31 2a7o n GLY 45 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2a7o s ARG 46 N -4.99 4.17 -0.21 1.61 3.00 -0.02 -4.42 118.95 118.09 2a7o s ARG 46 Ca 0.07 1.87 -0.29 0.00 -1.00 0.00 0.00 55.73 56.38 2a7o s ARG 46 Cb -0.03 -3.88 -0.01 0.00 0.00 0.00 0.00 34.95 31.03 2a7o s ARG 46 CO 0.42 -0.81 1.27 0.42 0.00 0.00 0.00 175.30 176.60 2a7o s ILE 47 N 3.86 4.25 0.07 4.11 1.01 0.13 0.17 121.20 134.80 2a7o s ILE 47 Ca 0.64 1.48 -0.36 0.00 0.00 0.00 0.00 60.65 62.41 2a7o s ILE 47 Cb -0.27 -4.05 -0.19 0.00 0.01 0.00 0.00 42.46 37.96 2a7o s ILE 47 CO 0.22 -0.24 1.59 0.71 0.00 0.00 0.00 174.94 177.22 2a7o h THR 48 N 5.64 0.10 -4.09 2.92 1.35 -1.88 -3.41 112.91 113.53 2a7o h THR 48 Ca -0.26 0.00 -0.18 0.00 -0.55 0.00 0.00 66.41 65.42 2a7o h THR 48 Cb 1.10 0.10 -0.15 0.00 -1.73 0.00 0.00 68.15 67.47 2a7o h THR 48 CO 0.99 0.00 -0.68 -0.89 -0.25 0.00 0.00 175.52 174.69 2a7o s THR 49 N -5.98 0.39 0.22 6.82 2.01 -1.26 -5.04 115.64 112.80 2a7o s THR 49 Ca -0.19 -1.88 -0.08 0.00 0.31 0.00 0.00 61.69 59.85 2a7o s THR 49 Cb 0.03 -1.70 0.18 0.00 0.01 0.00 0.00 72.50 71.02 2a7o s THR 49 CO 0.61 -0.84 1.86 0.00 -0.69 0.00 0.00 174.62 175.56 2a7o h THR 50 N 3.01 1.09 -0.14 -0.82 1.03 -1.98 0.77 112.91 115.88 2a7o h THR 50 Ca -0.35 -0.32 -0.04 0.00 -0.01 0.00 0.00 66.41 65.69 2a7o h THR 50 Cb 1.16 0.07 -0.01 0.00 -1.07 0.00 0.00 68.15 68.30 2a7o h THR 50 CO 0.64 0.17 -0.09 1.05 -0.01 0.00 0.00 175.52 177.29 2a7o h GLU 51 N 0.94 0.21 -0.22 0.00 9.09 -1.98 0.17 114.58 122.79 2a7o h GLU 51 Ca 0.32 -0.04 -0.16 0.00 0.05 0.00 0.00 59.36 59.54 2a7o h GLU 51 Cb 0.05 -0.03 0.00 0.00 -1.65 0.00 0.00 28.75 27.12 2a7o h GLU 51 CO -0.13 0.31 -0.47 -0.44 0.05 0.00 0.00 179.01 178.33 2a7o h ASP 52 N 0.20 0.79 -0.19 3.06 3.32 -1.63 -0.44 116.42 121.54 2a7o h ASP 52 Ca 0.04 -0.55 0.04 0.00 0.02 0.00 0.00 57.03 56.58 2a7o h ASP 52 Cb 0.29 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 2a7o h ASP 52 CO 0.02 1.20 -0.04 0.15 -1.72 0.00 0.00 179.24 178.84 2a7o h PHE 53 N 0.41 -0.09 -0.64 4.55 3.04 -0.07 -0.17 116.94 123.97 2a7o h PHE 53 Ca 0.00 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 61.94 2a7o h PHE 53 Cb 1.08 0.07 -0.03 0.00 2.56 0.00 0.00 35.95 39.63 2a7o h PHE 53 CO 0.09 -0.07 0.28 0.87 -2.02 0.00 0.00 178.31 177.45 2a7o h LYS 54 N 0.01 0.95 0.03 1.11 1.57 -0.59 0.19 116.57 119.83 2a7o h LYS 54 Ca 0.09 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2a7o h LYS 54 Cb 0.13 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 2a7o h LYS 54 CO -0.19 0.78 -0.03 1.25 -0.57 0.00 0.00 179.45 180.70 2a7o h HIS 55 N 0.90 -0.06 -0.14 -1.35 2.76 -0.70 -1.09 115.15 115.46 2a7o h HIS 55 Ca 0.22 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.35 2a7o h HIS 55 Cb 0.17 0.03 -0.00 0.00 1.55 0.00 0.00 27.41 29.15 2a7o h HIS 55 CO 0.01 -0.04 -0.06 1.25 -1.30 0.00 0.00 177.93 177.79 2a7o h LEU 56 N -0.06 0.30 -1.04 0.26 6.46 -0.85 -1.73 115.31 118.66 2a7o h LEU 56 Ca 0.00 -0.40 0.09 0.00 -0.12 0.00 0.00 57.88 57.45 2a7o h LEU 56 Cb 0.06 -0.08 -0.07 0.00 -0.73 0.00 0.00 40.66 39.83 2a7o h LEU 56 CO -0.01 0.64 0.63 0.00 -0.62 0.00 0.00 178.44 179.08 2a7o h ALA 57 N 0.68 1.49 0.21 1.25 0.00 -0.46 0.42 119.26 122.83 2a7o h ALA 57 Ca 0.03 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2a7o h ALA 57 Cb 0.52 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2a7o h ALA 57 CO 0.02 0.32 -0.10 0.00 0.00 0.00 0.00 179.25 179.49 2a7o h ARG 58 N 1.06 -0.27 -0.77 0.00 3.08 -1.07 -1.39 114.38 115.03 2a7o h ARG 58 Ca 0.46 0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.56 2a7o h ARG 58 Cb 0.34 0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.40 2a7o h ARG 58 CO -0.21 -0.10 0.49 -0.22 -1.07 0.00 0.00 179.97 178.86 2a7o h LYS 59 N -0.38 0.92 -0.30 0.04 3.64 -0.29 -0.90 116.57 119.30 2a7o h LYS 59 Ca -0.03 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.20 2a7o h LYS 59 Cb 0.29 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 2a7o h LYS 59 CO 0.05 0.61 -0.17 -0.07 -2.27 0.00 0.00 179.45 177.59 2a7o h LEU 60 N 0.94 0.67 -0.87 5.20 3.38 -0.89 0.16 115.31 123.91 2a7o h LEU 60 Ca 0.31 -0.42 0.07 0.00 0.09 0.00 0.00 57.88 57.93 2a7o h LEU 60 Cb 0.03 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.53 2a7o h LEU 60 CO -0.12 0.95 0.54 0.74 0.09 0.00 0.00 178.44 180.63 2a7o h THR 61 N 0.40 1.03 0.00 0.22 2.02 -0.91 -1.65 112.91 114.02 2a7o h THR 61 Ca 0.06 -0.33 -0.15 0.00 0.77 0.00 0.00 66.41 66.76 2a7o h THR 61 Cb 0.70 -0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 2a7o h THR 61 CO 0.05 0.18 -0.72 -0.74 0.37 0.00 0.00 175.52 174.65 2a7o h HIS 62 N 0.97 0.00 -0.18 3.16 -0.00 -0.85 -2.58 115.15 115.66 2a7o h HIS 62 Ca 0.39 0.00 -0.20 0.00 -0.00 0.00 0.00 60.37 60.55 2a7o h HIS 62 Cb 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.61 2a7o h HIS 62 CO -0.03 0.72 -0.68 0.78 -0.00 0.00 0.00 177.93 178.72 2a7o h GLY 63 N 2.92 0.81 1.39 5.26 0.00 0.16 0.82 103.07 114.42 2a7o h GLY 63 Ca -0.01 -1.06 -0.14 0.00 0.00 0.00 0.00 47.33 46.11 2a7o h GLY 63 CO 0.09 0.95 -0.42 -2.08 0.00 0.00 0.00 176.54 175.08 2a7o h VAL 64 N 0.53 1.29 -0.15 4.60 2.07 -1.37 -0.68 116.25 122.54 2a7o h VAL 64 Ca -0.02 -1.60 -0.00 0.00 0.82 0.00 0.00 66.70 65.89 2a7o h VAL 64 Cb 1.29 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 32.59 2a7o h VAL 64 CO 0.14 0.51 0.08 -0.03 0.02 0.00 0.00 177.57 178.30 2a7o h MET 65 N 0.54 0.21 -0.63 1.57 -1.53 -1.31 -1.18 114.93 112.60 2a7o h MET 65 Ca 0.04 -0.02 -0.06 0.00 -3.44 0.00 0.00 59.70 56.22 2a7o h MET 65 Cb 0.96 -0.04 -0.03 0.00 -0.55 0.00 0.00 31.60 31.94 2a7o h MET 65 CO 0.09 0.21 0.16 -0.91 0.14 0.00 0.00 176.91 176.60 2a7o h ASN 66 N 0.15 0.92 0.02 1.39 -0.26 -0.68 0.14 115.58 117.25 2a7o h ASN 66 Ca 0.05 -0.18 -0.00 0.00 -0.56 0.00 0.00 56.30 55.62 2a7o h ASN 66 Cb 0.06 -0.24 0.00 0.00 -1.06 0.00 0.00 38.32 37.08 2a7o h ASN 66 CO -0.01 0.88 -0.01 0.50 -1.06 0.00 0.00 177.43 177.74 2a7o h LYS 67 N 0.94 -0.02 -0.00 0.81 3.64 -0.58 0.56 116.57 121.91 2a7o h LYS 67 Ca 0.20 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.32 2a7o h LYS 67 Cb 0.32 0.01 0.02 0.00 -0.41 0.00 0.00 32.23 32.17 2a7o h LYS 67 CO -0.00 0.01 -1.04 1.05 -2.27 0.00 0.00 179.45 177.20 2a7o h GLU 68 N -0.04 0.71 0.00 1.90 4.11 -1.13 -1.55 114.58 118.58 2a7o h GLU 68 Ca -0.00 -0.76 -0.01 0.00 0.07 0.00 0.00 59.36 58.66 2a7o h GLU 68 Cb 0.04 0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 2a7o h GLU 68 CO 0.00 1.33 -0.04 -0.07 0.07 0.00 0.00 179.01 180.31 2a7o h LEU 69 N 0.40 0.00 0.03 3.06 3.38 -0.87 0.84 115.31 122.15 2a7o h LEU 69 Ca -0.13 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.59 2a7o h LEU 69 Cb 1.69 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.41 2a7o h LEU 69 CO 0.20 0.04 -1.26 0.07 0.09 0.00 0.00 178.44 177.58 2a7o h LYS 70 N 0.00 0.06 0.00 1.13 2.10 -0.58 -1.91 116.57 117.37 2a7o h LYS 70 Ca -0.00 -0.10 0.00 0.00 -2.00 0.00 0.00 60.65 58.55 2a7o h LYS 70 Cb 0.10 0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.46 2a7o h LYS 70 CO 0.00 0.92 -1.67 0.66 -2.00 0.00 0.00 179.45 177.36 2a7o n TYR 71 N -3.31 0.01 -0.08 0.07 4.01 -0.61 -4.25 117.16 113.00 2a7o n TYR 71 Ca -0.07 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.60 2a7o n TYR 71 Cb 0.99 -0.34 -0.16 0.00 -0.31 0.00 0.00 39.34 39.52 2a7o n TYR 71 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2a7o n LYS 73 N -2.71 0.00 -4.52 0.00 4.01 -0.72 -4.81 118.16 109.41 2a7o n LYS 73 Ca -0.28 0.00 -0.33 0.00 -0.51 0.00 0.00 58.31 57.18 2a7o n LYS 73 Cb 1.08 -0.06 -0.12 0.00 -0.51 0.00 0.00 35.03 35.41 2a7o n LYS 73 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 2a7o s ASN 74 N 0.00 4.60 0.00 4.39 0.01 -1.26 -4.90 114.94 117.77 2a7o s ASN 74 Ca 0.00 -0.16 0.00 0.00 -0.71 0.00 0.00 52.86 51.99 2a7o s ASN 74 Cb 0.00 -1.66 0.02 0.00 0.41 0.00 0.00 41.25 40.02 2a7o s ASN 74 CO 0.00 0.20 0.54 -0.81 -1.51 0.00 0.00 177.10 175.52 2a7o n PRO 75 N 3.35 0.53 0.00 -0.60 -0.04 -1.26 -2.90 135.00 134.07 2a7o n PRO 75 Ca -0.18 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.40 2a7o n PRO 75 Cb 0.53 -1.01 0.67 0.00 -0.04 0.00 0.00 33.50 33.64 2a7o n PRO 75 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2a7o n GLU 76 N -0.51 0.60 0.00 0.54 2.13 -1.26 -1.71 120.64 120.43 2a7o n GLU 76 Ca 0.00 0.02 0.00 0.00 0.66 0.00 0.00 57.16 57.85 2a7o n GLU 76 Cb 0.00 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.21 2a7o n GLU 76 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2a7o n ASP 77 N -1.10 0.74 -4.49 4.31 2.03 -1.14 -4.96 116.55 111.93 2a7o n ASP 77 Ca 0.16 -0.95 -0.43 0.00 0.52 0.00 0.00 54.79 54.08 2a7o n ASP 77 Cb 0.12 0.06 -0.04 0.00 -0.72 0.00 0.00 41.12 40.53 2a7o n ASP 77 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2a7o s LEU 78 N -0.12 4.34 -0.04 -2.67 2.96 -0.69 -4.95 118.68 117.50 2a7o s LEU 78 Ca 0.00 -0.62 -0.12 0.00 -0.22 0.00 0.00 54.13 53.17 2a7o s LEU 78 Cb 0.00 -2.65 0.02 0.00 0.50 0.00 0.00 46.19 44.06 2a7o s LEU 78 CO 0.00 -1.22 0.27 -0.70 -1.32 0.00 0.00 176.35 173.38 2a7o s GLU 79 N 3.73 0.54 -1.43 1.98 2.56 -1.26 -4.80 118.70 120.02 2a7o s GLU 79 Ca 0.25 -0.07 -0.14 0.00 0.00 0.00 0.00 54.97 55.02 2a7o s GLU 79 Cb -0.15 0.24 0.06 0.00 2.00 0.00 0.00 34.13 36.28 2a7o s GLU 79 CO 0.16 -0.13 2.17 0.00 -0.56 0.00 0.00 175.26 176.90 2a7o s ASN 81 N 2.97 5.01 0.17 0.00 2.20 -1.26 -4.83 114.94 119.20 2a7o s ASN 81 Ca 0.46 -0.92 -0.20 0.00 -0.94 0.00 0.00 52.86 51.27 2a7o s ASN 81 Cb 0.13 0.43 0.10 0.00 -2.00 0.00 0.00 41.25 39.91 2a7o s ASN 81 CO -0.07 -1.40 1.63 -0.33 -2.94 0.00 0.00 177.10 173.98 2a7o h GLU 82 N 0.15 -0.14 -0.27 3.55 3.07 -1.98 0.62 114.58 119.58 2a7o h GLU 82 Ca -0.29 0.01 0.05 0.00 -0.50 0.00 0.00 59.36 58.64 2a7o h GLU 82 Cb 1.29 0.03 -0.05 0.00 -0.84 0.00 0.00 28.75 29.18 2a7o h GLU 82 CO 0.41 -0.09 -0.07 -0.97 -1.40 0.00 0.00 179.01 176.89 2a7o h ASN 83 N -0.15 -0.26 -0.25 1.42 -1.24 -1.95 0.31 115.58 113.47 2a7o h ASN 83 Ca 0.20 0.08 -0.01 0.00 0.71 0.00 0.00 56.30 57.28 2a7o h ASN 83 Cb 0.45 0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.66 2a7o h ASN 83 CO -0.49 -0.09 0.12 0.58 -1.29 0.00 0.00 177.43 176.25 2a7o h VAL 84 N -0.00 1.14 -0.11 2.57 2.07 -1.49 -1.25 116.25 119.18 2a7o h VAL 84 Ca 0.13 -0.41 0.03 0.00 0.82 0.00 0.00 66.70 67.28 2a7o h VAL 84 Cb 0.20 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 2a7o h VAL 84 CO -0.28 0.14 -0.11 0.11 0.02 0.00 0.00 177.57 177.45 2a7o h LYS 85 N 0.27 -0.13 -0.05 1.57 1.57 0.60 -0.13 116.57 120.27 2a7o h LYS 85 Ca 0.09 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.91 2a7o h LYS 85 Cb 0.12 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.41 2a7o h LYS 85 CO -0.01 -0.09 -0.22 1.25 -0.57 0.00 0.00 179.45 179.81 2a7o h HIS 86 N -0.14 -0.59 0.00 -1.35 2.76 -0.19 -0.46 115.15 115.18 2a7o h HIS 86 Ca 0.08 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.22 2a7o h HIS 86 Cb 0.25 0.27 -0.01 0.00 1.55 0.00 0.00 27.41 29.47 2a7o h HIS 86 CO -0.23 -0.31 -0.26 0.87 -1.30 0.00 0.00 177.93 176.70 2a7o h LYS 87 N -0.33 0.00 0.35 5.26 1.57 -0.90 -1.74 116.57 120.79 2a7o h LYS 87 Ca 0.07 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 2a7o h LYS 87 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 2a7o h LYS 87 CO -0.23 0.26 -0.17 1.15 -0.57 0.00 0.00 179.45 179.89 2a7o h THR 88 N 0.00 0.07 -0.09 -0.16 2.02 0.10 0.15 112.91 114.99 2a7o h THR 88 Ca -0.00 -0.68 -0.04 0.00 0.77 0.00 0.00 66.41 66.46 2a7o h THR 88 Cb 0.51 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 2a7o h THR 88 CO 0.03 0.02 -0.11 0.07 0.37 0.00 0.00 175.52 175.90 2a7o h LYS 89 N -1.11 0.14 -0.64 6.66 5.09 -1.08 0.50 116.57 126.13 2a7o h LYS 89 Ca -0.05 -0.03 -0.06 0.00 0.09 0.00 0.00 60.65 60.61 2a7o h LYS 89 Cb 0.39 -0.02 -0.03 0.00 0.10 0.00 0.00 32.23 32.67 2a7o h LYS 89 CO 0.08 0.26 0.16 0.93 -2.09 0.00 0.00 179.45 178.79 2a7o h GLU 90 N 0.13 1.01 -0.12 0.07 4.39 -1.33 -0.98 114.58 117.76 2a7o h GLU 90 Ca 0.03 -0.24 -0.02 0.00 0.34 0.00 0.00 59.36 59.46 2a7o h GLU 90 Cb 0.29 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 28.80 2a7o h GLU 90 CO 0.02 0.91 -0.02 -0.92 -1.16 0.00 0.00 179.01 177.84 2a7o h TYR 91 N 0.93 0.26 -0.22 4.33 3.20 0.13 -1.61 116.97 123.99 2a7o h TYR 91 Ca 0.20 -0.05 0.06 0.00 3.14 0.00 0.00 58.73 62.08 2a7o h TYR 91 Cb 0.35 -0.06 -0.07 0.00 1.54 0.00 0.00 36.73 38.48 2a7o h TYR 91 CO 0.03 0.51 -0.29 0.82 -1.64 0.00 0.00 178.16 177.58 2a7o h ILE 92 N -0.07 0.32 -0.04 1.81 1.08 -0.02 0.44 117.51 121.02 2a7o h ILE 92 Ca 0.03 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.53 2a7o h ILE 92 Cb 0.42 0.32 -0.03 0.00 -3.07 0.00 0.00 36.82 34.45 2a7o h ILE 92 CO 0.01 0.00 -0.13 0.11 -0.69 0.00 0.00 178.15 177.45 2a7o h LYS 93 N -0.31 -0.19 -0.03 2.37 1.57 -1.04 0.21 116.57 119.15 2a7o h LYS 93 Ca 0.13 0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.86 2a7o h LYS 93 Cb 0.51 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 2a7o h LYS 93 CO -0.40 -0.12 -0.28 0.87 -0.57 0.00 0.00 179.45 178.95 2a7o h LYS 94 N -0.19 0.05 0.21 3.15 1.79 -0.75 -1.25 116.57 119.58 2a7o h LYS 94 Ca 0.06 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.50 2a7o h LYS 94 Cb 0.27 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.92 2a7o h LYS 94 CO -0.16 0.33 -0.10 -0.92 -1.08 0.00 0.00 179.45 177.52 2a7o h TYR 95 N 0.05 -0.26 -0.02 -1.35 3.20 0.57 -3.15 116.97 115.99 2a7o h TYR 95 Ca 0.01 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.88 2a7o h TYR 95 Cb 0.52 0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.88 2a7o h TYR 95 CO 0.00 0.11 0.04 0.52 -1.64 0.00 0.00 178.16 177.19 2a7o h MET 96 N -0.70 0.00 0.00 1.82 2.86 0.45 -0.80 114.93 118.56 2a7o h MET 96 Ca -0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2a7o h MET 96 Cb 0.49 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.15 2a7o h MET 96 CO 0.05 0.00 0.00 1.96 1.06 0.00 0.00 176.91 179.98 2a7o h GLN 97 N 0.00 0.00 0.00 1.72 1.08 -1.23 -2.07 115.11 114.61 2a7o h GLN 97 Ca 0.01 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.19 2a7o h GLN 97 Cb 0.09 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.52 2a7o h GLN 97 CO -0.00 0.00 -0.15 1.57 -0.95 0.00 0.00 178.83 179.30 2a7o h LYS 98 N 0.00 0.00 0.10 1.46 5.09 -1.27 -3.25 116.57 118.70 2a7o h LYS 98 Ca 0.00 0.00 -0.26 0.00 0.09 0.00 0.00 60.65 60.48 2a7o h LYS 98 Cb 0.17 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.50 2a7o h LYS 98 CO 0.00 0.09 -1.22 0.74 -2.09 0.00 0.00 179.45 176.97 2a7o h PHE 99 N 0.00 0.40 0.00 0.07 0.04 -1.53 -3.49 116.94 112.42 2a7o h PHE 99 Ca -0.00 -0.29 0.00 0.00 2.80 0.00 0.00 57.97 60.48 2a7o h PHE 99 Cb 1.07 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 39.20 2a7o h PHE 99 CO 0.00 1.23 0.00 0.41 -0.60 0.00 0.00 178.31 179.35 2a7o n GLY 100 N 1.51 0.89 0.14 -1.45 0.00 -1.23 -4.35 105.19 100.70 2a7o n GLY 100 Ca -0.07 -1.28 -0.23 0.00 0.00 0.00 0.00 46.02 44.44 2a7o n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a7o h ALA 101 N 0.00 -0.12 -2.90 4.61 0.00 -1.91 0.20 119.26 119.14 2a7o h ALA 101 Ca 0.00 -0.79 -0.58 0.00 0.00 0.00 0.00 54.91 53.54 2a7o h ALA 101 Cb 0.00 0.14 -0.17 0.00 0.00 0.00 0.00 17.79 17.76 2a7o h ALA 101 CO 0.00 0.57 -0.79 0.08 0.00 0.00 0.00 179.25 179.11 2a7o s VAL 102 N -2.60 2.11 -0.66 0.00 1.01 -1.26 -0.84 120.40 118.16 2a7o s VAL 102 Ca -0.11 -2.04 -0.24 0.00 0.00 0.00 0.00 61.98 59.59 2a7o s VAL 102 Cb 0.03 -2.02 0.05 0.00 0.00 0.00 0.00 36.38 34.44 2a7o s VAL 102 CO 0.91 -0.26 1.04 -0.47 0.00 0.00 0.00 175.10 176.31 2a7o s TYR 103 N -2.00 2.60 -0.59 5.22 5.04 0.13 -4.52 117.35 123.22 2a7o s TYR 103 Ca 0.20 -0.30 -0.02 0.00 -2.44 0.00 0.00 57.07 54.50 2a7o s TYR 103 Cb -0.06 -4.34 0.15 0.00 0.35 0.00 0.00 41.96 38.06 2a7o s TYR 103 CO 0.09 -1.69 0.40 0.15 -1.34 0.00 0.00 175.55 173.15 2a7o s LYS 104 N 4.46 2.44 0.62 4.97 1.02 -1.26 -4.49 119.74 127.50 2a7o s LYS 104 Ca 0.27 -2.48 0.37 0.00 0.02 0.00 0.00 55.97 54.15 2a7o s LYS 104 Cb -0.14 -3.67 2.06 0.00 -0.52 0.00 0.00 37.83 35.56 2a7o s LYS 104 CO 0.13 -1.16 2.29 -1.00 -0.92 0.00 0.00 175.35 174.69 2a7o h PRO 105 N 7.05 0.00 0.00 -1.68 0.13 -1.98 0.94 132.00 136.46 2a7o h PRO 105 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 2a7o h PRO 105 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 2a7o h PRO 105 CO 0.71 0.01 0.05 0.87 -0.23 0.00 0.00 178.00 179.41 2a7o h LYS 106 N 0.00 0.00 -0.32 0.86 1.57 -2.02 0.10 116.57 116.76 2a7o h LYS 106 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2a7o h LYS 106 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.36 2a7o h LYS 106 CO 0.00 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.27 2a7o n GLU 107 N -2.95 2.30 -1.81 3.15 -0.58 0.32 -4.99 120.64 116.07 2a7o n GLU 107 Ca -0.03 -2.11 -0.29 0.00 -0.42 0.00 0.00 57.16 54.31 2a7o n GLU 107 Cb 0.11 -1.45 0.12 0.00 -0.57 0.00 0.00 31.44 29.66 2a7o n GLU 107 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2a7o s ASP 108 N -1.39 3.99 0.00 1.62 2.15 0.35 -4.95 116.67 118.44 2a7o s ASP 108 Ca 0.33 0.73 0.29 0.00 0.43 0.00 0.00 52.55 54.33 2a7o s ASP 108 Cb 0.20 -1.16 1.70 0.00 -0.30 0.00 0.00 42.92 43.37 2a7o s ASP 108 CO 0.28 -2.22 2.04 1.07 -0.17 0.00 0.00 175.17 176.17